![1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide structure](/static/products/465/465537-90-0.png)
1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide
TL;DR: 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide (CAS 465537-90-0) is a chemical compound with molecular formula C21H28BrN3O and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide
Also Known As: 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide, 1-(1-adamantyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone hydrobromide, REGID_for_CID_2839312
| Molecular Formula | C21H28BrN3O |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 4.30557 |
| Topological Polar Surface Area | 50.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.14157 |
| Heavy Atoms | 26 |
| Complexity | 874.323 |
Chemical Identifiers
| CAS Number | 465537-90-0 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N(C1=N)CC(=O)C34CC5CC(C3)CC(C5)C4.Br |
Product Overview
1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide (CAS 465537-90-0), with molecular formula C21H28BrN3O and molecular weight 417.14 g/mol. IUPAC: 1-(1-adamantyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide.
Chemical Property Profile of 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide
Property Insights of 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide
The XLogP value of 4.30557 indicates that 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.78 Ų, 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide?
The CAS number of 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide is 465537-90-0.
What is the molecular formula of 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide?
The molecular formula of 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide is C21H28BrN3O.
What is the molecular weight of 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide?
The molecular weight of 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide is 417.14 g/mol.
Where can I buy 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide?
You can request a quote for 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 1-((3r,5r,7r)-adamantan-1-yl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.